TETRAHYDROPYRAN-2-METHANOL(100-72-1) 1H NMR
Product NameTETRAHYDROPYRAN-2-METHANOL
CAS100-72-1
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKey ROTONRWJLXYJBD-UHFFFAOYSA-N
SmilesC1(CO)OCCCC1
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MassMS-NW-1261 tetrahydropyran-2-methanol C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 26.0 1.2 27.0 10.3 28.0 5.9 29.0 26.0 30.0 1.0 31.0 15.5 32.0 2.7 39.0 6.8 40.0 1.6 41.0 38.5 42.0 2.3 43.0 25.2 44.0 2.2 45.0 1.4 53.0 1.7 55.0 11.8 56.0 4.3 57.0 22.8 58.0 1.2 67.0 19.5 68.0 1.3 84.0 3.4 85.0 100.0 86.0 5.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O2 0.05 ml : 0.5 ml CDCl3 tetrahydropyran-2-methanol 
Assign. Shift(ppm)
A 4.006 B *1 3.53 C *1 3.51 D 3.46 E 3.42 F 3.21 G 1.851 J 1.60 to 1.48 K 1.320 ASSIGNED BY H-H COSY. J(B,C)=-11.5HZ J(B,E)=3.8HZ
Hz ppm Int.1610.47 4.030 118 1608.52 4.025 193 1606.81 4.021 247 1605.10 4.017 175 1599.24 4.002 140 1597.53 3.998 233 1595.46 3.993 236 1593.51 3.988 213 1593.14 3.987 213 1423.71 3.563 114 1419.92 3.553 151 1412.23 3.534 540 1408.20 3.524 1000 1401.61 3.508 793 1396.48 3.495 133 1394.41 3.490 202 1393.31 3.487 144 1391.48 3.482 296 1390.14 3.479 363 1383.18 3.461 337 1380.25 3.454 465 1377.81 3.448 184 1375.98 3.443 197 1374.02 3.439 164 1371.70 3.433 336 1368.90 3.426 283 1366.82 3.421 223 1365.72 3.418 199 1362.92 3.411 154 1360.47 3.405 184 1358.40 3.399 123 1356.57 3.395 120 1354.61 3.390 94 1283.69 3.213 202 749.51 1.876 135 747.44 1.871 149 745.36 1.866 202 742.68 1.859 154 740.11 1.852 172 737.92 1.847 148 737.43 1.846 149 735.47 1.841 151 733.76 1.837 151 732.18 1.833 132 731.08 1.830 105 641.36 1.605 89 640.63 1.603 98 637.82 1.596 119 637.08 1.595 110 636.23 1.592 104 635.13 1.590 71 633.54 1.586 106 631.23 1.580 65 630.00 1.577 96 629.15 1.575 102 627.93 1.572 188 626.59 1.568 136 625.85 1.566 146 623.66 1.561 230 621.70 1.556 164 620.00 1.552 234 616.58 1.543 366 615.11 1.540 437 614.62 1.538 435 613.40 1.535 535 611.82 1.531 660 610.47 1.528 640 609.25 1.525 656 608.64 1.523 668 607.06 1.519 439 604.98 1.514 238 603.52 1.511 200 601.44 1.505 268 598.88 1.499 469 598.14 1.497 444 596.68 1.494 389 595.09 1.490 382 592.16 1.482 115 591.19 1.480 154 586.43 1.468 90 582.52 1.458 109 578.74 1.449 61 547.00 1.369 83 544.80 1.364 75 542.97 1.359 80 541.50 1.355 51 540.28 1.352 53 538.09 1.347 54 535.77 1.341 111 533.20 1.335 237 529.54 1.326 160 526.25 1.317 51 521.73 1.306 226 518.43 1.298 116 517.58 1.296 111 515.99 1.292 62 510.62 1.278 57 508.42 1.273 58
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 tetrahydropyran-2-methanol Assign. Shift(ppm)
A 4.01 B 3.55 C 3.50 D 3.46 E 3.42 F 2.77 G 1.86 J 1.64 to 1.45 N 1.32 THE SHIFT VALUES WERE OBTAINED AT 400 MHZ.
Hz ppm Int.368.56 4.116 47 366.50 4.093 117 364.94 4.075 101 363.13 4.055 123 361.38 4.036 51 357.00 3.987 88 355.25 3.967 149 353.44 3.947 225 326.81 3.650 32 325.50 3.635 50 324.75 3.627 39 324.19 3.620 36 323.56 3.613 37 321.38 3.589 147 317.94 3.551 313 314.44 3.511 1000 309.13 3.452 220 308.19 3.442 225 306.38 3.421 176 305.00 3.406 236 303.69 3.391 233 299.50 3.345 113 298.63 3.335 108 296.63 3.313 111 243.63 2.721 576 238.31 2.661 39 237.94 2.657 35 174.25 1.946 44 172.31 1.924 55 170.44 1.904 90 169.06 1.888 112 168.19 1.878 101 167.81 1.874 102 166.19 1.856 131 164.50 1.837 127 162.75 1.818 85 162.00 1.809 80 161.00 1.798 100 159.56 1.782 86 158.13 1.766 69 157.06 1.754 59 156.63 1.749 59 155.94 1.742 63 154.88 1.730 90 152.38 1.702 118 149.38 1.668 114 149.06 1.665 114 147.19 1.644 118 146.63 1.638 118 145.69 1.627 135 144.19 1.610 180 142.94 1.597 251 140.31 1.567 431 138.25 1.544 457 136.44 1.524 373 135.06 1.509 486 134.63 1.504 486 131.94 1.474 633 124.69 1.393 189 121.19 1.354 101 119.50 1.335 95 118.56 1.324 93 118.25 1.321 93 116.38 1.300 67 115.38 1.289 60 113.81 1.271 50 113.50 1.268 46 112.81 1.260 47 111.06 1.241 50 109.69 1.225 40 109.31 1.221 37 108.38 1.211 41 108.00 1.206 41 106.75 1.192 34 106.25 1.187 34
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
